⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Allylamine SCHEMBL1323859 | 0.89 | — | — | |
| Allylamine SCHEMBL3921566 | 0.88 | — | — | |
| Allylamine SCHEMBL28072853 | 0.88 | — | — | |
| Pentane SCHEMBL28335286 | 0.86 | — | — | |
| Hexane SCHEMBL28274176 | 0.86 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL27908618 | 0.84 | — | — | |
| Allylamine SCHEMBL7599092 | 0.84 | — | — | |
| Allylamine SCHEMBL18302510 | 0.84 | — | — | |
| Allylamine SCHEMBL3980116 | 0.84 | — | — | |
| Allylamine SCHEMBL6032547 | 0.83 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156930-A | A kind of water-based acrylic resin and preparation method thereof of chemisorption degradation of formaldehyde | 昆明理工大学 | 2019-08-23 | — | — | CN | claimed |
| CN-1004739-B | Humidity sensitive element and method for manufacturing the same | 株式会社岛津制作所 | 1989-07-05 | — | — | CN | claimed |
| CN-85104273-A | Dew cell and autofrettage thereof | — | 1986-12-03 | — | — | CN | claimed |
| CN-110366449-A | Catalyst for hydrosilylation, hydrogenation, and hydrosilane reduction | 国立大学法人九州大学 | 2019-10-22 | — | — | CN | disclosed |
| CN-106938990-B | A method of by allyl tertiary amine compounds one-step synthesis cyano tertiary amine compounds | 北京理工大学 | 2019-09-17 | — | — | CN | disclosed |
| CN-110156930-A | A kind of water-based acrylic resin and preparation method thereof of chemisorption degradation of formaldehyde | 昆明理工大学 | 2019-08-23 | — | — | CN | disclosed |
| CN-108219065-B | A kind of betaine type antibacterial finishing agent and preparation method thereof | 江南大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-104086581-B | A kind of organosilicon function monomer containing quaternary ammonium cation and salicylide | 淮海工学院 | 2017-10-13 | — | — | CN | disclosed |
| CN-104736580-B | Aqueous dispersion Pioloform, polyvinyl acetal particulate | 积水化学工业株式会社 | 2017-08-01 | — | — | CN | disclosed |
| CN-106938990-A | A kind of method by pi-allyl tertiary amine compounds one-step synthesis cyano group tertiary amine compounds | 北京理工大学 | 2017-07-11 | — | — | CN | disclosed |
| CN-104479060-B | Enamine copolymer surface treating agent and preparation method thereof | 广东多正化工科技有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-104327238-A | Preparation method for organosilicone positive ion waterborne polyurethane | UNIV QILU TECHNOLOGY | 2015-02-04 | — | — | CN | disclosed |
| CN-103135347-A | Resin composition for laser engraving, flexographic printing plate precursor for laser engraving and process for producing same, and flexographic printing plate and process for making same | FUJIFILM CORP | 2013-06-05 | — | — | CN | disclosed |
| EP-0470000-B1 | Allylation reagent and method of synthesis using it | RHONE POULENC CHIMIE (FR) | 1997-11-12 | — | — | EP | disclosed |
| CN-1004739-B | Humidity sensitive element and method for manufacturing the same | 株式会社岛津制作所 | 1989-07-05 | — | — | CN | disclosed |
| CN-1003445-B | thiazolidinedione derivatives, their preparation and use | 武田药品工业株式会社 | 1989-03-01 | — | — | CN | disclosed |
| CN-85104273-A | Dew cell and autofrettage thereof | — | 1986-12-03 | — | — | CN | disclosed |
| CN-85107870-A | The preparation method of thiazolidine diketone derivative and purposes | — | 1986-07-16 | — | — | CN | disclosed |